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Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates
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Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges
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Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms
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- Journal Article
- A1
- open access
Kinetics of alpha hydrogen abstractions in thiols, sulfides and thiocarbonyl compounds
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First principle-based simulation of ethane steam cracking
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Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase
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- Journal Article
- A1
- open access
Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors
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Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions
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Theoretical study of the thermal decomposition of dimethyl disulfide
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Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis